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Update README.md #16

Merged
merged 4 commits into from
Jun 10, 2024
Merged

Update README.md #16

merged 4 commits into from
Jun 10, 2024

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hwpang
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@hwpang hwpang commented May 8, 2024

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@hwpang hwpang requested a review from mjohnson541 May 8, 2024 15:07
The original description was for pretty much only the original algorithm, I've adapted it to describe more what we're doing now. 

I've removed the instructions for installing molecule from source since it is now included in the environment.
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I just added some changes...let me know what you think.

README.md Outdated
Comment on lines 4 to 11
# Installation from source
- Install [molecule](https://github.com/ReactionMechanismGenerator/molecule/tree/ts_len_improvements) from source
- `git clone https://github.com/ReactionMechanismGenerator/molecule.git`
- `cd molecule`
- `conda env create -f environment.yml --name=pysidt`
- `conda activate pysidt`
- `make`
- `pip install -e .`
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I suggest leave this in for developer installation instruction, i.e. people who need new atom types will need to consult this installation.

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hwpang commented May 10, 2024

@mjohnson541 I made some changes based on yours

@mjohnson541 mjohnson541 merged commit 91c6909 into main Jun 10, 2024
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@mjohnson541 mjohnson541 deleted the hwpang-patch-1 branch June 10, 2024 17:15
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2 participants